methyl 3-bromanyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethoxy]benzoic acid methyl ester Formula: C20H20BrN3O6 MolecularWeight: 478.2933

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C20H20BrN3O6/c1-29-20(26)14-2-7-18(17(21)12-14)30-13-19(25)23-10-8-22(9-11-23)15-3-5-16(6-4-15)24(27)28/h2-7,12H,8-11,13H2,1H3